
 CHEMBL3580909

 34 35  0  0  0  0  0  0  0  0999 V2000
    4.8175   -1.3525    0.0082 C   0  0  0  0  0
    4.1200   -0.2017    0.4722 O   0  0  0  0  0
    4.8810    0.9229    0.6539 C   0  0  0  0  0
    4.1720    2.1288    0.5770 C   0  0  0  0  0
    4.8510    3.3562    0.7248 C   0  0  0  0  0
    6.2215    3.3274    0.9780 C   0  0  0  0  0
    6.9441    2.1349    1.0929 C   0  0  0  0  0
    6.2483    0.9310    0.9240 C   0  0  0  0  0
    6.6426    4.6324    1.0797 N   0  0  0  0  0
    5.5922    5.4854    0.8748 C   0  0  0  0  0
    4.4563    4.7328    0.6445 C   0  0  0  0  0
    3.0839    5.2612    0.3473 C   0  0  0  0  0
    2.8320    5.5715   -1.1259 C   0  0  0  0  0
    2.0505    6.4558   -1.4706 O   0  0  0  0  0
    3.4664    4.7521   -2.0305 N   0  0  0  0  0
    3.2255    4.8363   -3.4447 C   0  0  0  0  0
    4.3964    4.2016   -4.1246 C   0  0  0  0  0
    4.4098    2.9549   -4.6153 C   0  0  0  0  0
    4.0724   -2.1054   -0.2666 H   0  0  0  0  0
    5.4446   -1.7793    0.7969 H   0  0  0  0  0
    5.4080   -1.1257   -0.8864 H   0  0  0  0  0
    3.1035    2.1094    0.3822 H   0  0  0  0  0
    8.0088    2.1344    1.3037 H   0  0  0  0  0
    6.8076    0.0061    1.0258 H   0  0  0  0  0
    7.5951    4.9152    1.2647 H   0  0  0  0  0
    5.7415    6.5573    0.9002 H   0  0  0  0  0
    2.9293    6.1873    0.9143 H   0  0  0  0  0
    2.3192    4.5471    0.6727 H   0  0  0  0  0
    3.9727    3.9456   -1.6874 H   0  0  0  0  0
    3.1138    5.8802   -3.7542 H   0  0  0  0  0
    2.2887    4.3119   -3.6609 H   0  0  0  0  0
    5.2888    4.8170   -4.2173 H   0  0  0  0  0
    3.5449    2.3029   -4.5394 H   0  0  0  0  0
    5.2994    2.5567   -5.0936 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5 11  1  0  0  0
  5  6  2  0  0  0
  6  9  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 16 17  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
 17 18  2  0  0  0
 17 32  1  0  0  0
 18 33  1  0  0  0
 18 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3580909

>  <PubChem CID>
86273229

>  <Formula>
C14H16N2O2

>  <Molecular Weight>
244.294000

>  <IUPAC Name>
2-(5-methoxy-1H-indol-3-yl)-N-prop-2-enylacetamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC2=C(C=C1)NC=C2CC(=O)NCC=C

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)NC=C2CC(=O)NCC=C

>  <InChI Std. ID>
InChI=1S/C14H16N2O2/c1-3-6-15-14(17)7-10-9-16-13-5-4-11(18-2)8-12(10)13/h3-5,8-9,16H,1,6-7H2,2H3,(H,15,17)

>  <InChI Key>
BRKWQBQNZRMYKO-UHFFFAOYSA-N

